Thiocyanic Acid

Thiocyanic Acid

SCHEMBL9004779

FC(F)(F)c1ccccc1[Ti](C1=CC=CC1)C1=CC=CC1.N#CS

nearest known ligand 0.30

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Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9004769 0.91 HSD11B1 (0.31)
Thiocyanic Acid SCHEMBL9004794 0.80
SCHEMBL9004830 0.78 HSD11B1 (0.33)
Hydrochloric Acid SCHEMBL9004732 0.71 CES2 (0.36)
SCHEMBL8961799 0.69 HSD11B1 (0.32)
Fluoride SCHEMBL9004753 0.68 HSD11B1 (0.31)
Hydrochloric Acid SCHEMBL9005137 0.68 HSD11B1 (0.31)
Hydrochloric Acid SCHEMBL9547761 0.68 HTR2C (0.31)
Hydrochloric Acid SCHEMBL9005001 0.68 EPHX2 (0.34) AR
SCHEMBL7941146 0.66 MEN1 (0.30)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5510539-A LIQUID KETALS; LONG DARK STORAGE STABILITY CIBA-GEIGY CORPORATION (US) 1996-04-23 US disclosed
US-5288917-A Benzil ketals; end-capped polyoxyyethylene glycol; mixed with titanocene-type initiators CIBA-GEIGY CORPORATION (US) 1994-02-22 US disclosed